Benzyl acetoacetate 苄基乙酰乙酸酯
CAS 5396-89-4 MFCD00008785
化学结构图
SMILES: CC(=O)CC(=O)OCc1ccccc1
化学属性
| Mol. Formula | C11H12O3 |
|---|---|
| Mol. Weight | 192.21118 |
| Density | 1.112 g/mL at 25 °C(lit.) |
| Refractive index | 1.5080 to 1.5130 |
| Flash Point | 108°C(lit.) |
| TSCA | Yes |
| Boiling Point | 156-159 °C at 10 mmHg |
别名和识别编码
| Chemical Name | Benzyl acetoacetate |
|---|---|
| MDL Number | MFCD00008785 |
| CAS Number | 5396-89-4 |
| Synonym | Benzyl acetoacetate {LY} Benzyl acetoacetate {} {LY} Benzyl acetoacetate {} {} {LY} Benzyl acetoacetate {} {} {} {LY} Benzyl acetoacetate {} {} {} {} {LY} Benzyl acetoacetate {} {} {} {} {} {LY} Benzyl acetoacetate {} {} {} {} {} {} {LY} Benzyl acetoacetate {} {} {} {} {} {} {} {LY} Benzyl acetoacetate {} {} {} {} {} {} {} {} {LY} Benzyl acetoacetate {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {LY} Benzyl acetoacetate {} {} {} {} {} {} {} {} {} {} {LY} Benzyl acetoacetate {} {} {} {} {} {} {} {} {} {} {} {LY} Benzyl acetoacetate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzyl acetoacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzyl acetoacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzyl acetoacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Benzyl acetoacetate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} |
| EC Number | 226-416-4 |
| Beilstein Registry Number | 6,438 |
| PubChem Substance ID | 142266 |
| Chemical Name Translation | 苄基乙酰乙酸酯 |
| Reaxys-RN | 2049615 |
| LabNetwork Molecule ID | LN00195147 |
| Canonical SMILES | O=C(OCC1=CC=CC=C1)CC(C)=O |
| InChI | InChI=1S/C11H12O3/c1-9(12)7-11(13)14-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3 |
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分类
- {Chemicalbook} 食品添加剂: 食用香料（增香剂）: 天然等同香料和人造香
- {SNA} Building Blocks, C10 to C11, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
相关文献及参考
安全信息
- R36/38 Irritating to eyes and skin 对眼睛和皮肤有刺激性
- S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
- S37 Wear suitable gloves 戴适当手套；
- S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
- H315 Causes skin irritation 会刺激皮肤
- H319 Causes serious eye irritation 严重刺激眼睛
- H412 Harmfutoaquaticlifewithlonglastingeffects 对水生生物有害并具有长期影响。
- P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
- P273 Avoid release to the environment. 避免释放到环境中。
- P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
- P302+P350
- P302+P352
- P302+P352+P332+P313+P362+P364
- P305+P351+P338
- P305+P351+P338+P337+P313
- P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
- P332+P313
- P332+P317
- P337+P313
- P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
- P362+P364
- P501 Dispose of contents/container to..… 处理内容物/容器.....
GHS Symbol
其他信息
- FEMA:2136
- TCI Shanghai:苄基乙酰乙酸酯 Benzyl Acetoacetate,>;95.0%(GC)(5396-89-4)
- 乙酰丙酮苄酯价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 A1080 乙酰乙酸苄酯 Benzyl Acetoacetate 500ML 1870元 2014/06/02 A1080 乙酰乙酸苄酯 Benzyl Acetoacetate 25ML 217元 2010/06/21 375590250 乙酰丙酮苄酯 Benzyl acetoacetate 90%, tech. 25 GR 400元
- 参考质量标准:FAO/WHO，2001 含量(GT-10-4) ≥98% 酸值(OT-4) ≤3.0 折射率(n D 20 ) 1.498～1.520 相对密度(d 25 25 ) 1.112～1.120
- MOL 文件:5396-89-4.mol
- Alfa Aesar:苄基乙酰乙酸酯,97% Benzyl acetoacetate, 97%(5396-89-4)
- 使用限量:FEMA(mg/kg)：饮料2.7；冷饮6.0；糖果和焙烤制品13；布丁、凝胶，0.50～1.0；胶姆糖50。 适量为限(FDA，§172．515，2001)。
- Sigma Aldrich:5396-89-4(sigmaaldrich)
- Acros Organics:乙酰丙酮苄酯 Benzyl acetoacetate, tech., 90%(5396-89-4)
- 毒性:GRAS(FEMA)。
